Crystallography Open Database

Information card for entry 7235623

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Coordinates	7235623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 O4 S
Calculated formula	C26 H30 O4 S
Title of publication	Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit
Authors of publication	Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	36
Pages of publication	18904
a	8.9442 ± 0.0009 Å
b	9.7734 ± 0.001 Å
c	14.2491 ± 0.0012 Å
α	85.521 ± 0.005°
β	75.471 ± 0.005°
γ	75.776 ± 0.005°
Cell volume	1168.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2061
Residual factor for significantly intense reflections	0.104
Weighted residual factors for significantly intense reflections	0.3027
Weighted residual factors for all reflections included in the refinement	0.3841
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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